1 #ifndef MCMD_MD_CONFIG_IO_H 2 #define MCMD_MD_CONFIG_IO_H 11 #include <mcMd/configIos/McMdConfigIo.h> 43 virtual void readAtom(std::istream& out,
Atom& atom);
46 virtual void writeAtom(std::ostream& out,
const Atom& atom);
A set of interacting Molecules enclosed by a Boundary.
File containing preprocessor macros for error handling.
Base class for default Mc and Md configIos.
A point particle within a Molecule.
Utility classes for scientific computation.
Single-processor Monte Carlo (MC) and molecular dynamics (MD).
ConfigIo for MD simulations (includes velocities).